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70602-86-7 | 5-[1-(p-Isobutylphenyl)ethylidene]-4-oxo-2-thioxothiazolidine
CAS No: 70602-86-7 Catalog No: AG00FUA8 MDL No:
Product Description
Catalog Number:
AG00FUA8
Chemical Name:
5-[1-(p-Isobutylphenyl)ethylidene]-4-oxo-2-thioxothiazolidine
CAS Number:
70602-86-7
IUPAC Name:
5-[1-[4-(2-methylpropyl)phenyl]ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C15H17NOS2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13-14(17)16-15(18)19-13/h4-7,9H,8H2,1-3H3,(H,16,17,18)
InChI Key:
CIBMPQJEEHLCOG-UHFFFAOYSA-N
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.427g/mol
Monoisotopic Mass:
291.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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